element(s):
['Hg']
AFLOW prototype label:
A_hP3_191_ad
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4876', '0.58965668']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hg', 'Hg']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[5.4876, 0, 0], [-2.7438, 4.7524010058075, 0], [0, 0, 3.2358]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:19:47       -0.369530         0.225521
BFGS:    1 14:19:47       -0.371671         0.226818
BFGS:    2 14:19:47       -0.406546         0.247630
BFGS:    3 14:19:47       -0.444695         0.270458
BFGS:    4 14:19:47       -0.486332         0.293388
BFGS:    5 14:19:47       -0.531532         0.316835
BFGS:    6 14:19:47       -0.580419         0.341592
BFGS:    7 14:19:47       -0.632924         0.365800
BFGS:    8 14:19:47       -0.688729         0.387869
BFGS:    9 14:19:47       -0.747306         0.405024
BFGS:   10 14:19:47       -0.807634         0.414715
BFGS:   11 14:19:47       -0.868144         0.411286
BFGS:   12 14:19:47       -0.926197         0.389260
BFGS:   13 14:19:47       -0.977993         0.336771
BFGS:   14 14:19:48       -1.017136         0.236456
BFGS:   15 14:19:48       -1.034792         0.072294
BFGS:   16 14:19:48       -1.035119         0.096698
BFGS:   17 14:19:48       -1.035359         0.090068
BFGS:   18 14:19:48       -1.036355         0.016649
BFGS:   19 14:19:48       -1.036389         0.002771
BFGS:   20 14:19:48       -1.036390         0.000045
BFGS:   21 14:19:48       -1.036390         0.000001
BFGS:   22 14:19:48       -1.036390         0.000000
BFGS:   23 14:19:48       -1.036390         0.000000
Minimization converged after 23 steps.
Maximum force component: 2.5793190255184546e-32 eV/Angstrom
Maximum stress component: 3.135544258783172e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hg', 'Hg', 'Hg']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[4.185184397924558, 3.84669462450247e-17, -1.397001924723247e-37], [-2.092592198962279, 3.6244760081249483, 1.4788599241966996e-36], [-2.0201021305778347e-36, -6.770592753263845e-37, 2.49716438513874]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.57931903e-32 -1.48917053e-32 -6.65009791e-69]
 [-2.57931903e-32  1.48917053e-32 -4.00780305e-35]]
stress =  [ 1.50395838e-11  1.50395838e-11  3.13554426e-11  2.83717981e-35
 -4.91413958e-35 -5.65459659e-27]
energy per atom =  -0.3454634752030255
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0